Trends in ferromagnetism in Mn-doped dilute III-V alloys from a density functional perspective
2009 (English)In: Physical Review B. Condensed Matter and Materials Physics, ISSN 1098-0121, E-ISSN 1550-235X, Vol. 79, no 19Article in journal (Refereed) Published
Mn doping in dilute III-V alloys has been examined as a route to enhance ferromagnetic stability. Strong valence-band bowing is expected at the dilute limit, implying a strong modification of the ferromagnetic stability upon alloying with even an increase in some cases. Using first-principles electronic structure calculations we show that while codoping with a group V anion enhances the ferromagnetic stability in some cases when the effects of relaxation of the lattice are not considered, strong impurity scattering in the relaxed structure result in a reduction in the ferromagnetic stability.
Place, publisher, year, edition, pages
2009. Vol. 79, no 19
density functional theory, doping profiles, ferromagnetic relaxation, gallium arsenide, III-V semiconductors, manganese, semiconductor, doping, semimagnetic semiconductors, valence bands, total-energy calculations, wave basis-set, temperature ferromagnetism, semiconductors
IdentifiersURN: urn:nbn:se:kth:diva-18468DOI: 10.1103/PhysRevB.79.195211ISI: 000266501300072ScopusID: 2-s2.0-67649513512OAI: oai:DiVA.org:kth-18468DiVA: diva2:336515
QC 201005252010-08-052010-08-052010-12-17Bibliographically approved